CC1CCc2ncnc(N3CC4(CCN(C(=O)OC(C)(C)C)CC4)c4c(CNc5ncccn5)cccc43)c21
SMILES: CC1CCc2ncnc(N3CC4(CCN(C(=O)OC(C)(C)C)CC4)c4c(CNc5ncccn5)cccc43)c21

Molecular Processing

Molecular formula
C30H37N7O2
Molecular weight
527.67
Exact mass
527.3009
XLogP
5.35
TPSA
96.37
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
39
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
150.29

Supplementary Information

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